CID 5047111

303104-39-4

Structural Information

Molecular Formula
C28H23Cl2N3O
SMILES
CN(C)C1=CC=C(C=C1)C2N3C(CC(=N3)C4=CC5=CC=CC=C5C=C4)C6=C(O2)C(=CC(=C6)Cl)Cl
InChI
InChI=1S/C28H23Cl2N3O/c1-32(2)22-11-9-18(10-12-22)28-33-26(23-14-21(29)15-24(30)27(23)34-28)16-25(31-33)20-8-7-17-5-3-4-6-19(17)13-20/h3-15,26,28H,16H2,1-2H3
InChIKey
MGJJXFGSBNOHAP-UHFFFAOYSA-N
Compound name
4-(7,9-dichloro-2-naphthalen-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazin-5-yl)-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.12183 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.12911 219.4
[M+Na]+ 510.11105 239.6
[M+NH4]+ 505.15565 229.8
[M+K]+ 526.08499 228.8
[M-H]- 486.11455 229.9
[M+Na-2H]- 508.09650 227.4
[M]+ 487.12128 226.4
[M]- 487.12238 226.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.